SCHEMBL2326418

SCHEMBL2326418

CNC[C@H](C[C@H]1CCCOC1)N(C(=O)O)C(C)(C)C

nearest known ligand 0.31

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 1/20 0.31
PSEN1 P49768 2/20 0.30
PSEN2 P49810 2/20 0.30
APH1B Q8WW43 2/20 0.30
NCSTN Q92542 2/20 0.30
APH1A Q96BI3 2/20 0.30
PSENEN Q9NZ42 2/20 0.30
REN P00797 2/20 0.30
BRD4 O60885 1/20 0.30
CYP3A4 P08684 1/20 0.30

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL4412655 1.00 MGLL (0.31) MGLLPSEN1PSEN2APH1BNCSTN
SCHEMBL2323495 1.00 MGLL (0.31) MGLLPSEN1PSEN2APH1BNCSTN
SCHEMBL2023160 0.86 PSEN1 (0.31) MGLLPSEN1PSEN2APH1BNCSTN
SCHEMBL2326663 0.86 PSEN1 (0.31) MGLLPSEN1PSEN2APH1BNCSTN
SCHEMBL1870238 0.86 CTSK (0.37)
SCHEMBL4200774 0.85 PSEN1 (0.33) MGLLPSEN1PSEN2APH1BNCSTN
SCHEMBL2028956 0.85 PSEN1 (0.33) MGLLPSEN1PSEN2APH1BNCSTN
SCHEMBL498956 0.81 PSEN1 (0.31) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL1866875 0.78
SCHEMBL499680 0.76 ATM (0.38) RENCYP3A4

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2081927-B1 PIPERIDINE DERIVATIVES AS RENIN INHIBITORS VITAE PHARMACEUTICALS INC (US) 2011-08-17 EP claimed
US-20090318501-A1 Piperidine derivatives as renin inhibitors VITAE PHARMACEUTICALS, INC. 2009-12-24 US claimed
EP-2081927-B1 PIPERIDINE DERIVATIVES AS RENIN INHIBITORS VITAE PHARMACEUTICALS INC (US) 2011-08-17 EP disclosed
US-20090318501-A1 Piperidine derivatives as renin inhibitors VITAE PHARMACEUTICALS, INC. 2009-12-24 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20090318501-A1 Piperidine derivatives as renin inhibitors ACE, DNPEP, PEPD MGLL 2353/4885PSEN1 303/4885PSEN2 595/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.